Interfacial Molecular Lock Enables Highly Efficient Tin Perovskite Solar Cells

Tin perovskite solar cells (TPSCs) have been facing challenges in power conversion efficiency (PCE) and long-term stability due to the easy oxidation of Sn 2+ and the migration of iodine ions, which create populated trap states and cause detrimental recombination of photogenerated carriers. In this work, we design a novel “molecular lock” to suppress the oxidation and iodine migration of tin perovskites by introducing F-type pseudohalide tetrafluoroborate (BF 4 – ) and natural multifunctional antioxidant myricetin (C 15 H 10 O 8 ). We find that the incorporation of BF 4 – releases lattice strain and enhances the structural stability of tin perovskites. Furthermore, it is confirmed that myricetin molecules are anchored on the surface and grain boundaries of perovskite layers via hydrogen bonding interactions, reducing Sn 4+ to Sn 2+ and stabilizing iodine in tin perovskite octahedrons. The resultant TPSC with a molecular lock based on (MA 0.25 FA 0.75 ) 0.98 EDA 0.01 SnI 2.99 (BF 4 ) 0.01 achieves a high PCE of 14.08%. Moreover, the target device shows negligible change in PCE under 1000 h storage in the dark and retains 89.9% of the initial PCE after continuous irradiation for 200 h.